2026-05-30T09:10:13Zhttps://riubu.ubu.es/oai/requestoai:riubu.ubu.es:10259/46972024-11-05T10:58:21Zcom_10259_4393com_10259_5086com_10259_2604col_10259_4394
Orientational Effects and Random Mixing in 1-Alkanol + Alkanone Mixtures
González López, Juan Antonio
Mediavilla Trabada, Ángela
García de la Fuente, Isaías
Cobos, José Carlos .
Alonso Tristán, Cristina
Riesco, Nicolás
1-Alkanol + alkanone systems have been investigated through the data analysis of molar excess functions,
enthalpies, isobaric heat capacities, volumes and entropies, and using the Flory model and the formalism of the concentrationconcentration
structure factor (SCC(0)). The enthalpy of the hydroxyl-carbonyl interactions has been evaluated. These
interactions are stronger in mixtures with shorter alcohols (methanol-1-butanol) and 2-propanone or 2-butanone. However,
effects related to the self-association of alcohols and to solvation between unlike molecules are of minor importance when
compared with those which arise from dipolar interactions. Physical interactions are more relevant in mixtures with longer
1-alkanols. The studied systems are characterized by large structural effects. The variation of the molar excess enthalpy with the
alcohol size along systems with a given ketone or with the alkanone size in solutions with a given alcohol are discussed in terms of
the different contributions to this excess function. Mixtures with methanol show rather large orientational effects. The random
mixing hypothesis is attained to a large extent for mixtures with 1-alkanols ≠ methanol and 2-alkanones. Steric effects and
cyclization lead to stronger orientational effects in mixtures with 3-pentanone, 4-heptanone, or cyclohexanone. The increase of
temperature weakens orientational effects. Results from SCC(0) calculations show that homocoordination is predominant and
support conclusions obtained from the Flory model.
2018-01-11T11:39:50Z
2018-01-11T11:39:50Z
2018-01-11T11:39:50Z
2013-07
info:eu-repo/semantics/article
0888-5885
http://hdl.handle.net/10259/4697
10.1021/ie4019269
eng
Industrial & Engineering Chemistry Research. 2013, V. 52, n. 30, p.10317–10328
https://doi.org/10.1021/ie4019269
info:eu-repo/grantAgreement/MICINN/FIS2010-16957
info:eu-repo/semantics/openAccess
American Chemical Society